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deepqmc/deepqmc: DeepQMC 0.2.0

Jan Hermann; Zeno Schätzle; Frank Noé


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    "description": "<p>Added</p>\n\n<ul>\n\t<li>Command-line interface</li>\n</ul>\n\n<p>Changed</p>\n\n<ul>\n\t<li><code>PauliNet</code>:\n\n\t<ul>\n\t\t<li>Nuclear and electronic cusp corrections on by default</li>\n\t\t<li><code>omni_kwargs</code> accepted by <code>PauliNet()</code> instead of <code>from_hf()</code></li>\n\t\t<li>All keyword arguments to <code>from_hf()</code> are passed to <code>PauliNet()</code></li>\n\t</ul>\n\t</li>\n\t<li><code>Sampler</code>:\n\t<ul>\n\t\t<li><code>from_mf()</code> changed to <code>from_wf()</code>, doesn&#39;t use PySCF object by default</li>\n\t</ul>\n\t</li>\n</ul>", 
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Views 1,38283
Downloads 17014
Data volume 12.9 MB1.1 MB
Unique views 1,23974
Unique downloads 16114

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